SCHEMBL7355184

SCHEMBL7355184

CNC1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.57
GAA P10253 1/20 0.52
FKBP1A P62942 7/20 0.51
ACE2 Q9BYF1 4/20 0.49
CTRB1 P17538 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7355192 0.87 ACE (0.57) ACEGAAFKBP1AACE2
SCHEMBL7352944 0.86 ACE (0.51) ACEGAAFKBP1A
SCHEMBL6439093 0.85 ACE (0.62) ACEFKBP1AACE2CTRB1
SCHEMBL4455535 0.82 ELANE (0.58)
SCHEMBL4455552 0.82 ELANE (0.58)
SCHEMBL7350737 0.82 ELANE (0.58)
SCHEMBL7426069 0.81 ACE (0.59) ACEFKBP1AACE2
SCHEMBL6436340 0.81 ACE (0.59) ACEFKBP1AACE2
SCHEMBL7148899 0.81 ACE (0.63) ACEFKBP1A
SCHEMBL7537159 0.81 ACE (0.63) ACEFKBP1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993025574-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1993-12-23 WO disclosed